Product OPENEYE NAME: 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]benzamide
CAS Name: 4-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]benzamide
IUPAC NAME: 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]benzamide
SYSTEMATIC NAME: 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]carbonyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]benzamide
MOLECULAR FORMULA: C32H34ClN5O2
MOLECULAR WEIGHT: 556.09766
SMILES: C1CN(CCC1NC(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: 4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]benzamide
CAS Name: 4-[[4-(4-chlorophenyl)-1-piperazinyl]-oxomethyl]-N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]benzamide
IUPAC NAME: 4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]benzamide
SYSTEMATIC NAME: 4-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]benzamide
MOLECULAR FORMULA: C31H32ClN5O2
MOLECULAR WEIGHT: 542.07108
SMILES: C1CN(CCC1NC(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]benzamide
CAS Name: N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-4-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]benzamide
IUPAC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]benzamide
SYSTEMATIC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-benzamide
MOLECULAR FORMULA: C31H31F3N6O2
MOLECULAR WEIGHT: 576.61205
SMILES: C1CN(CCC1NC(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: [(E)-1-[3-(2-thienyl)phenyl]ethylideneamino] N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [(E)-1-(3-thiophen-2-ylphenyl)ethylideneamino] ester
IUPAC NAME: [(E)-1-(3-thiophen-2-ylphenyl)ethylideneamino] N-phenylcarbamate
SYSTEMATIC NAME: [(E)-1-(3-thiophen-2-ylphenyl)ethylideneamino] N-phenylcarbamate
MOLECULAR FORMULA: C19H16N2O2S
MOLECULAR WEIGHT: 336.40754
SMILES: C/C(=N\OC(=O)NC1=CC=CC=C1)/C2=CC=CC(=C2)C3=CC=CS3
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Product OPENEYE NAME: 5-[3-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]propyl]thiophene-2-carboxylic acid
CAS Name: 5-[3-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]propyl]-2-thiophenecarboxylic acid
IUPAC NAME: 5-[3-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]propyl]thiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-[3-[(1R,2R,3R,5R)-5-chloranyl-3-oxidanyl-2-[3-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]propyl]thiophene-2-carboxylic acid
MOLECULAR FORMULA: C23H26ClF3O3S
MOLECULAR WEIGHT: 474.96395
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]1Cl)CCCC2=CC=C(S2)C(=O)O)CCCC3=CC(=CC=C3)C(F)(F)F)O
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Product OPENEYE NAME: 5-(3,5-dichlorophenyl)-4-hydroxy-2-(1-methyl-1-phenyl-ethyl)-1H-pyrimidin-6-one
CAS Name: 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-phenylpropan-2-yl)-1H-pyrimidin-6-one
IUPAC NAME: 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-phenylpropan-2-yl)-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)phenyl]-4-oxidanyl-2-(2-phenylpropan-2-yl)-1H-pyrimidin-6-one
MOLECULAR FORMULA: C19H16Cl2N2O2
MOLECULAR WEIGHT: 375.24854
SMILES: CC(C)(C1=CC=CC=C1)C2=NC(=C(C(=O)N2)C3=CC(=CC(=C3)Cl)Cl)O
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Product OPENEYE NAME: (6aR,9R,10aR)-3-(1,1-dimethylheptyl)-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-2H-isochromeno[3,4-d]pyrimidin-1-one
CAS Name: (6aR,9R,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-2H-[2]benzopyrano[3,4-d]pyrimidin-1-one
IUPAC NAME: (6aR,9R,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-2H-isochromeno[3,4-d]pyrimidin-1-one
SYSTEMATIC NAME: (6aR,9R,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-2H-isochromeno[3,4-d]pyrimidin-1-one
MOLECULAR FORMULA: C23H38N2O2
MOLECULAR WEIGHT: 374.56002
SMILES: CCCCCCC(C)(C)C1=NC2=C([C@@H]3C[C@@H](CC[C@H]3C(O2)(C)C)C)C(=O)N1
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Product OPENEYE NAME: 3-(3,5-dichlorophenyl)-6-(1,1-dimethylheptyl)-2-hydroxy-1H-pyridin-4-one
CAS Name: 3-(3,5-dichlorophenyl)-2-hydroxy-6-(2-methyloctan-2-yl)-1H-pyridin-4-one
IUPAC NAME: 3-(3,5-dichlorophenyl)-2-hydroxy-6-(2-methyloctan-2-yl)-1H-pyridin-4-one
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)phenyl]-6-(2-methyloctan-2-yl)-2-oxidanyl-1H-pyridin-4-one
MOLECULAR FORMULA: C20H25Cl2NO2
MOLECULAR WEIGHT: 382.324
SMILES: CCCCCCC(C)(C)C1=CC(=O)C(=C(N1)O)C2=CC(=CC(=C2)Cl)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H44INO4
MOLECULAR WEIGHT: 609.57913
SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CC[N+]([C@@H]3CC6=C5C(=C(C=C6)O)O4)(C)CC7CC7)OC)(C(C)(C)C)O.[I-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H44NO4+
MOLECULAR WEIGHT: 482.67466
SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CC[N+]([C@@H]3CC6=C5C(=C(C=C6)O)O4)(C)CC7CC7)OC)(C(C)(C)C)O
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-(5-benzyltetrazol-2-yl)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(phenylmethyl)-2-tetrazolyl]oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-(5-benzyltetrazol-2-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(phenylmethyl)-1,2,3,4-tetrazol-2-yl]oxane-3,4,5-triol
MOLECULAR FORMULA: C14H18N4O5
MOLECULAR WEIGHT: 322.31652
SMILES: C1=CC=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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Product OPENEYE NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(3-methoxyphenyl)methyl]tetrazol-2-yl]tetrahydropyran-3,4,5-triol
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(3-methoxyphenyl)methyl]-2-tetrazolyl]oxane-3,4,5-triol
IUPAC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(3-methoxyphenyl)methyl]tetrazol-2-yl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrazol-2-yl]oxane-3,4,5-triol
MOLECULAR FORMULA: C15H20N4O6
MOLECULAR WEIGHT: 352.3425
SMILES: COC1=CC=CC(=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethoxyphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[(4-ethoxyphenyl)methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethoxyphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethoxyphenyl)methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H22N4O6
MOLECULAR WEIGHT: 366.36908
SMILES: CCOC1=CC=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[(2-fluorophenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[(2-fluorophenyl)methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[(2-fluorophenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[(2-fluorophenyl)methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C14H17FN4O5
MOLECULAR WEIGHT: 340.306983
SMILES: C1=CC=C(C(=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)F
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-chlorophenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[(4-chlorophenyl)methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-chlorophenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-chlorophenyl)methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C14H17ClN4O5
MOLECULAR WEIGHT: 356.76158
SMILES: C1=CC(=CC=C1CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl
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Product OPENEYE NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(p-tolylmethyl)tetrazol-2-yl]tetrahydropyran-3,4,5-triol
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-methylphenyl)methyl]-2-tetrazolyl]oxane-3,4,5-triol
IUPAC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-methylphenyl)methyl]-1,2,3,4-tetrazol-2-yl]oxane-3,4,5-triol
MOLECULAR FORMULA: C15H20N4O5
MOLECULAR WEIGHT: 336.3431
SMILES: CC1=CC=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethylphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[(4-ethylphenyl)methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethylphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethylphenyl)methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H22N4O5
MOLECULAR WEIGHT: 350.36968
SMILES: CCC1=CC=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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